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	hartrees
Energy at 0K	-151.076509
Energy at 298.15K
HF Energy	-150.697868
Nuclear repulsion energy	34.942544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3653	3513
2	A'	1685	1620
3	A'	914	879
4	A'	691	664
5	A"	3775	3630
6	A"	879	845

Atom	x (Å)	y (Å)	z (Å)
O1	0.063	-0.677	0.000
O2	0.063	0.886	0.000
H3	-0.501	-0.837	0.783
H4	-0.501	-0.837	-0.783

	O1	O2	H3	H4
O1		1.5636	0.9779	0.9779
O2	1.5636		1.9754	1.9754
H3	0.9779	1.9754		1.5654
H4	0.9779	1.9754	1.5654

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	99.432		O2	O1	H4	99.432
H3	O1	H4	106.338

All results from a given calculation for H₂OO (water oxide)

using model chemistry: MP4=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2OO (water oxide)

using model chemistry: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for H₂OO (water oxide)